CID 3050220

Brn 0849933

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O2/c29-26(22-8-3-1-4-9-22)23-12-14-25(15-13-23)30-21-7-16-27-17-19-28(20-18-27)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2
InChIKey
LJQXYQIMWLFFDL-UHFFFAOYSA-N
Compound name
phenyl-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 200.2
[M+Na]+ 423.20432 202.2
[M-H]- 399.20782 207.7
[M+NH4]+ 418.24892 206.3
[M+K]+ 439.17826 195.5
[M+H-H2O]+ 383.21236 186.5
[M+HCOO]- 445.21330 215.0
[M+CH3COO]- 459.22895 206.7
[M+Na-2H]- 421.18977 200.9
[M]+ 400.21455 196.2
[M]- 400.21565 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.